1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine

C20H26N2O2 — CID 59545760

IUPAC1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCN(c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-5-7-17(8-6-16)21-11-13-22(14-12-21)18-9-10-19(23-2)20(15-18)24-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyMMPWIVURKUMXBZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.59
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine

1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine (PubChem CID 59545760) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
PubChem CID59545760
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCN(c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-5-7-17(8-6-16)21-11-13-22(14-12-21)18-9-10-19(23-2)20(15-18)24-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyMMPWIVURKUMXBZ-UHFFFAOYSA-N
XLogP3.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-ethylaniline;ethane
CID 145113346
1-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 110363861
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
CID 10134641

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine (CID 59545760) is 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine is CCc1ccc(N2CCN(c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine?
The InChIKey is MMPWIVURKUMXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-5-7-17(8-6-16)21-11-13-22(14-12-21)18-9-10-19(23-2)20(15-18)24-3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine?
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine has a molecular weight of 326.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine is sourced from PubChem (CID 59545760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).